N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide

C19H30N4O2 — CID 91768691

IUPACN-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide
SMILESO=C(CCN1CCCn2nc(C(O)C3CC3)cc2C1)NC1CCCC1
InChIInChI=1S/C19H30N4O2/c24-18(20-15-4-1-2-5-15)8-11-22-9-3-10-23-16(13-22)12-17(21-23)19(25)14-6-7-14/h12,14-15,19,25H,1-11,13H2,(H,20,24)
InChIKeyZMRVDLIUTKCIKF-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.98
Rot. Bonds6

About N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide

N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide (PubChem CID 91768691) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide
PubChem CID91768691
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide
SMILESO=C(CCN1CCCn2nc(C(O)C3CC3)cc2C1)NC1CCCC1
InChIInChI=1S/C19H30N4O2/c24-18(20-15-4-1-2-5-15)8-11-22-9-3-10-23-16(13-22)12-17(21-23)19(25)14-6-7-14/h12,14-15,19,25H,1-11,13H2,(H,20,24)
InChIKeyZMRVDLIUTKCIKF-UHFFFAOYSA-N
XLogP1.98
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide (CID 91768691) is N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide is O=C(CCN1CCCn2nc(C(O)C3CC3)cc2C1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide?
The InChIKey is ZMRVDLIUTKCIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18(20-15-4-1-2-5-15)8-11-22-9-3-10-23-16(13-22)12-17(21-23)19(25)14-6-7-14/h12,14-15,19,25H,1-11,13H2,(H,20,24).
What are the key properties of N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide?
N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-[cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanamide is sourced from PubChem (CID 91768691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).