4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide

C19H23N7O — CID 135750711

IUPAC4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cn[nH]c2-c2nc3cc4c(cc3[nH]2)CCC4)CC1
InChIInChI=1S/C19H23N7O/c1-25-5-7-26(8-6-25)19(27)23-16-11-20-24-17(16)18-21-14-9-12-3-2-4-13(12)10-15(14)22-18/h9-11H,2-8H2,1H3,(H,20,24)(H,21,22)(H,23,27)
InChIKeyNFSHSHTXBHQFCV-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.22
Rot. Bonds2

About 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide

4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 135750711) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID135750711
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cn[nH]c2-c2nc3cc4c(cc3[nH]2)CCC4)CC1
InChIInChI=1S/C19H23N7O/c1-25-5-7-26(8-6-25)19(27)23-16-11-20-24-17(16)18-21-14-9-12-3-2-4-13(12)10-15(14)22-18/h9-11H,2-8H2,1H3,(H,20,24)(H,21,22)(H,23,27)
InChIKeyNFSHSHTXBHQFCV-UHFFFAOYSA-N
XLogP2.22
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide (CID 135750711) is 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2cn[nH]c2-c2nc3cc4c(cc3[nH]2)CCC4)CC1.
What is the InChIKey of 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is NFSHSHTXBHQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-25-5-7-26(8-6-25)19(27)23-16-11-20-24-17(16)18-21-14-9-12-3-2-4-13(12)10-15(14)22-18/h9-11H,2-8H2,1H3,(H,20,24)(H,21,22)(H,23,27).
What are the key properties of 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 135750711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).