3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C23H23N5O2 — CID 134325389

IUPAC3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C23H23N5O2/c1-14-2-3-16(23(30)26-18-6-7-18)8-21(14)17-10-25-28(13-17)20-9-19(11-24-12-20)27-22(29)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,26,30)(H,27,29)
InChIKeySXRVTCATJCOUEA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.48
Rot. Bonds6

About 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134325389) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134325389
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C23H23N5O2/c1-14-2-3-16(23(30)26-18-6-7-18)8-21(14)17-10-25-28(13-17)20-9-19(11-24-12-20)27-22(29)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,26,30)(H,27,29)
InChIKeySXRVTCATJCOUEA-UHFFFAOYSA-N
XLogP3.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134325389) is 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is SXRVTCATJCOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-2-3-16(23(30)26-18-6-7-18)8-21(14)17-10-25-28(13-17)20-9-19(11-24-12-20)27-22(29)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134325389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).