N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C15H20ClN5O — CID 51853113

IUPACN-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCC[C@H](CCNC(=O)c1cc(C2CC2)[nH]n1)n1cc(Cl)cn1
InChIInChI=1S/C15H20ClN5O/c1-2-12(21-9-11(16)8-18-21)5-6-17-15(22)14-7-13(19-20-14)10-3-4-10/h7-10,12H,2-6H2,1H3,(H,17,22)(H,19,20)/t12-/m1/s1
InChIKeyLQZQXCIRKUYEFS-GFCCVEGCSA-N
MW321.81 g/mol
LogP2.91
Rot. Bonds7

About N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 51853113) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID51853113
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCC[C@H](CCNC(=O)c1cc(C2CC2)[nH]n1)n1cc(Cl)cn1
InChIInChI=1S/C15H20ClN5O/c1-2-12(21-9-11(16)8-18-21)5-6-17-15(22)14-7-13(19-20-14)10-3-4-10/h7-10,12H,2-6H2,1H3,(H,17,22)(H,19,20)/t12-/m1/s1
InChIKeyLQZQXCIRKUYEFS-GFCCVEGCSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 51853113) is N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is CC[C@H](CCNC(=O)c1cc(C2CC2)[nH]n1)n1cc(Cl)cn1.
What is the InChIKey of N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is LQZQXCIRKUYEFS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-2-12(21-9-11(16)8-18-21)5-6-17-15(22)14-7-13(19-20-14)10-3-4-10/h7-10,12H,2-6H2,1H3,(H,17,22)(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51853113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).