N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C20H30N6O2 — CID 136518035

IUPACN-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C20H30N6O2/c1-13(19-14(2)23-24-15(19)3)9-18(27)26-7-5-16(6-8-26)10-21-20(28)17-11-22-25(4)12-17/h11-13,16H,5-10H2,1-4H3,(H,21,28)(H,23,24)
InChIKeyNJOSMDMQYUBARE-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.92
Rot. Bonds6

About N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 136518035) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID136518035
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C20H30N6O2/c1-13(19-14(2)23-24-15(19)3)9-18(27)26-7-5-16(6-8-26)10-21-20(28)17-11-22-25(4)12-17/h11-13,16H,5-10H2,1-4H3,(H,21,28)(H,23,24)
InChIKeyNJOSMDMQYUBARE-UHFFFAOYSA-N
XLogP1.92
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119312996
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 51106224
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119765291
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119046469
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-[[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 139000175
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 120988415

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 136518035) is N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(C)CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is NJOSMDMQYUBARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-13(19-14(2)23-24-15(19)3)9-18(27)26-7-5-16(6-8-26)10-21-20(28)17-11-22-25(4)12-17/h11-13,16H,5-10H2,1-4H3,(H,21,28)(H,23,24).
What are the key properties of N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136518035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).