(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone

C15H24N4O3 — CID 74241208

IUPAC(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESCc1[nH]nc(C2CC2)c1C(=O)N1CCN(CCO)CC(O)C1
InChIInChI=1S/C15H24N4O3/c1-10-13(14(17-16-10)11-2-3-11)15(22)19-5-4-18(6-7-20)8-12(21)9-19/h11-12,20-21H,2-9H2,1H3,(H,16,17)
InChIKeyAWPSWNMQJBQRSU-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.29
Rot. Bonds4

About (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone

(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 74241208) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID74241208
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESCc1[nH]nc(C2CC2)c1C(=O)N1CCN(CCO)CC(O)C1
InChIInChI=1S/C15H24N4O3/c1-10-13(14(17-16-10)11-2-3-11)15(22)19-5-4-18(6-7-20)8-12(21)9-19/h11-12,20-21H,2-9H2,1H3,(H,16,17)
InChIKeyAWPSWNMQJBQRSU-UHFFFAOYSA-N
XLogP-0.29
TPSA92.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (CID 74241208) is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is Cc1[nH]nc(C2CC2)c1C(=O)N1CCN(CCO)CC(O)C1.
What is the InChIKey of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is AWPSWNMQJBQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-13(14(17-16-10)11-2-3-11)15(22)19-5-4-18(6-7-20)8-12(21)9-19/h11-12,20-21H,2-9H2,1H3,(H,16,17).
What are the key properties of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[6-hydroxy-4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 74241208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).