(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C15H19ClN6O2 — CID 91788473

IUPAC(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCCn3nc(C(O)C4CC4)cc3C2)c1Cl
InChIInChI=1S/C15H19ClN6O2/c16-11-12(18-19-14(11)17)15(24)21-4-1-5-22-9(7-21)6-10(20-22)13(23)8-2-3-8/h6,8,13,23H,1-5,7H2,(H3,17,18,19)
InChIKeyHZTXGUULVSAXBU-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.33
Rot. Bonds3

About (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 91788473) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID91788473
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCCn3nc(C(O)C4CC4)cc3C2)c1Cl
InChIInChI=1S/C15H19ClN6O2/c16-11-12(18-19-14(11)17)15(24)21-4-1-5-22-9(7-21)6-10(20-22)13(23)8-2-3-8/h6,8,13,23H,1-5,7H2,(H3,17,18,19)
InChIKeyHZTXGUULVSAXBU-UHFFFAOYSA-N
XLogP1.33
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 91788473) is (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Nc1n[nH]c(C(=O)N2CCCn3nc(C(O)C4CC4)cc3C2)c1Cl.
What is the InChIKey of (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is HZTXGUULVSAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2/c16-11-12(18-19-14(11)17)15(24)21-4-1-5-22-9(7-21)6-10(20-22)13(23)8-2-3-8/h6,8,13,23H,1-5,7H2,(H3,17,18,19).
What are the key properties of (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 350.81 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 91788473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).