2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H25N7 — CID 56916712

IUPAC2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(CCCn2nccc2C2CC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C19H25N7/c1-6-20-14-16-13-17(23-25(16)10-1)19-21-8-12-24(19)9-2-11-26-18(5-7-22-26)15-3-4-15/h5,7-8,12-13,15,20H,1-4,6,9-11,14H2
InChIKeyUNNFXHQFSYJBCL-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.40
Rot. Bonds6

About 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56916712) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56916712
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(CCCn2nccc2C2CC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C19H25N7/c1-6-20-14-16-13-17(23-25(16)10-1)19-21-8-12-24(19)9-2-11-26-18(5-7-22-26)15-3-4-15/h5,7-8,12-13,15,20H,1-4,6,9-11,14H2
InChIKeyUNNFXHQFSYJBCL-UHFFFAOYSA-N
XLogP2.40
TPSA65.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56916712) is 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1cn(CCCn2nccc2C2CC2)c(-c2cc3n(n2)CCCNC3)n1.
What is the InChIKey of 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is UNNFXHQFSYJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-6-20-14-16-13-17(23-25(16)10-1)19-21-8-12-24(19)9-2-11-26-18(5-7-22-26)15-3-4-15/h5,7-8,12-13,15,20H,1-4,6,9-11,14H2.
What are the key properties of 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 351.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(5-cyclopropylpyrazol-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56916712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).