N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide

C16H23N5O — CID 72882292

IUPACN,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)Cc2n[nH]c3c2CCC3)c1C
InChIInChI=1S/C16H23N5O/c1-4-8-21-11(2)13(9-17-21)16(22)20(3)10-15-12-6-5-7-14(12)18-19-15/h9H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyZFWAQNGGBURCPQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds5

About N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide

N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 72882292) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID72882292
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)Cc2n[nH]c3c2CCC3)c1C
InChIInChI=1S/C16H23N5O/c1-4-8-21-11(2)13(9-17-21)16(22)20(3)10-15-12-6-5-7-14(12)18-19-15/h9H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyZFWAQNGGBURCPQ-UHFFFAOYSA-N
XLogP2.09
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide (CID 72882292) is N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide is CCCn1ncc(C(=O)N(C)Cc2n[nH]c3c2CCC3)c1C.
What is the InChIKey of N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZFWAQNGGBURCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-8-21-11(2)13(9-17-21)16(22)20(3)10-15-12-6-5-7-14(12)18-19-15/h9H,4-8,10H2,1-3H3,(H,18,19).
What are the key properties of N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide?
N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 72882292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).