N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C23H18N6O2 — CID 46490611

IUPACN'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C23H18N6O2/c30-21(12-16-13-25-19-9-5-4-8-17(16)19)27-28-23(31)18-14-26-29-20(10-11-24-22(18)29)15-6-2-1-3-7-15/h1-11,13-14,25H,12H2,(H,27,30)(H,28,31)
InChIKeyHKFIMKTVGIXDNS-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.88
Rot. Bonds4

About N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 46490611) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID46490611
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C23H18N6O2/c30-21(12-16-13-25-19-9-5-4-8-17(16)19)27-28-23(31)18-14-26-29-20(10-11-24-22(18)29)15-6-2-1-3-7-15/h1-11,13-14,25H,12H2,(H,27,30)(H,28,31)
InChIKeyHKFIMKTVGIXDNS-UHFFFAOYSA-N
XLogP2.88
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 78886697
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110895303
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
6-chloro-N'-[2-(1H-indol-3-yl)acetyl]quinoline-8-carbohydrazide
CID 55881068

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 46490611) is N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is HKFIMKTVGIXDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-21(12-16-13-25-19-9-5-4-8-17(16)19)27-28-23(31)18-14-26-29-20(10-11-24-22(18)29)15-6-2-1-3-7-15/h1-11,13-14,25H,12H2,(H,27,30)(H,28,31).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 410.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 46490611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).