N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C16H23N5O — CID 46963475

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCc2cc(C3CC3)n[nH]2)c(C)c1C
InChIInChI=1S/C16H23N5O/c1-10-11(2)20-21(12(10)3)7-6-16(22)17-9-14-8-15(19-18-14)13-4-5-13/h8,13H,4-7,9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyFEIJWIZDLKWFAM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.12
Rot. Bonds6

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 46963475) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID46963475
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCc2cc(C3CC3)n[nH]2)c(C)c1C
InChIInChI=1S/C16H23N5O/c1-10-11(2)20-21(12(10)3)7-6-16(22)17-9-14-8-15(19-18-14)13-4-5-13/h8,13H,4-7,9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyFEIJWIZDLKWFAM-UHFFFAOYSA-N
XLogP2.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 46963475) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NCc2cc(C3CC3)n[nH]2)c(C)c1C.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is FEIJWIZDLKWFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10-11(2)20-21(12(10)3)7-6-16(22)17-9-14-8-15(19-18-14)13-4-5-13/h8,13H,4-7,9H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).