N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide

C19H34N4O2 — CID 176629560

IUPACN-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC(OCCCN(C)C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C19H34N4O2/c1-15(2)22-10-7-18(8-11-22)25-12-6-9-21(5)19(24)17-13-20-23(14-17)16(3)4/h13-16,18H,6-12H2,1-5H3
InChIKeyLSLSCJJMJUTKFQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.82
Rot. Bonds8

About N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide

N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide (PubChem CID 176629560) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide
PubChem CID176629560
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC(OCCCN(C)C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C19H34N4O2/c1-15(2)22-10-7-18(8-11-22)25-12-6-9-21(5)19(24)17-13-20-23(14-17)16(3)4/h13-16,18H,6-12H2,1-5H3
InChIKeyLSLSCJJMJUTKFQ-UHFFFAOYSA-N
XLogP2.82
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(4-formyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 86810415
N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043527
N-(3-methoxypropyl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53544420
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
CID 91916236
[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385
(1-methyl-1H-pyrazol-4-yl)(4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)methanone
CID 91916389
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110197183
7-Ethyl-11-(1-methylpyrazole-4-carbonyl)-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
CID 124045663
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47220435

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide (CID 176629560) is N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide is CC(C)N1CCC(OCCCN(C)C(=O)c2cnn(C(C)C)c2)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide?
The InChIKey is LSLSCJJMJUTKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-15(2)22-10-7-18(8-11-22)25-12-6-9-21(5)19(24)17-13-20-23(14-17)16(3)4/h13-16,18H,6-12H2,1-5H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide?
N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 176629560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).