N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C18H27N5O — CID 72884307

IUPACN-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1C
InChIInChI=1S/C18H27N5O/c1-6-9-23-14(4)16(10-19-23)18(24)22(15-7-8-15)11-17-12(2)20-21(5)13(17)3/h10,15H,6-9,11H2,1-5H3
InChIKeyLDDHIGSWOTXGQP-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.76
Rot. Bonds6

About N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 72884307) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID72884307
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1C
InChIInChI=1S/C18H27N5O/c1-6-9-23-14(4)16(10-19-23)18(24)22(15-7-8-15)11-17-12(2)20-21(5)13(17)3/h10,15H,6-9,11H2,1-5H3
InChIKeyLDDHIGSWOTXGQP-UHFFFAOYSA-N
XLogP2.76
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 99939004
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 72931796
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
2-amino-N-cyclopropyl-3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70740986
5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 25366094
N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 72881553
1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 78977040
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 72884307) is N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is LDDHIGSWOTXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-6-9-23-14(4)16(10-19-23)18(24)22(15-7-8-15)11-17-12(2)20-21(5)13(17)3/h10,15H,6-9,11H2,1-5H3.
What are the key properties of N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72884307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).