1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol

C16H25N7O — CID 70744871

IUPAC1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
SMILESOC(CN1CCNCC1)Cn1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C16H25N7O/c24-14(11-21-5-1-17-2-6-21)12-22-7-4-19-16(22)15-9-13-10-18-3-8-23(13)20-15/h4,7,9,14,17-18,24H,1-3,5-6,8,10-12H2
InChIKeyMKKFJDYCFUOUKM-UHFFFAOYSA-N
MW331.42 g/mol
LogP-0.88
Rot. Bonds5

About 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol

1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol (PubChem CID 70744871) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
PubChem CID70744871
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
SMILESOC(CN1CCNCC1)Cn1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C16H25N7O/c24-14(11-21-5-1-17-2-6-21)12-22-7-4-19-16(22)15-9-13-10-18-3-8-23(13)20-15/h4,7,9,14,17-18,24H,1-3,5-6,8,10-12H2
InChIKeyMKKFJDYCFUOUKM-UHFFFAOYSA-N
XLogP-0.88
TPSA83.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95889436
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958
(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
CID 95873065
4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride
CID 154894310
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 70708546
N,N-dimethyl-1-(2-methylphenyl)-2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethanamine;dihydrochloride
CID 154895189
(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine
CID 95867093
N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
CID 70762490
2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70709789
3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70712268

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol (CID 70744871) is 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol is OC(CN1CCNCC1)Cn1ccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
The InChIKey is MKKFJDYCFUOUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c24-14(11-21-5-1-17-2-6-21)12-22-7-4-19-16(22)15-9-13-10-18-3-8-23(13)20-15/h4,7,9,14,17-18,24H,1-3,5-6,8,10-12H2.
What are the key properties of 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol has a molecular weight of 331.42 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 70744871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).