N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C23H21N7O — CID 71259641

IUPACN-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1
InChIInChI=1S/C23H21N7O/c1-2-21(15-6-4-3-5-7-15)30-14-18(13-26-30)27-23(31)22-19-9-8-16(10-20(19)28-29-22)17-11-24-25-12-17/h3-14,21H,2H2,1H3,(H,24,25)(H,27,31)(H,28,29)/t21-/m0/s1
InChIKeyIAHZIPPNSDBRJA-NRFANRHFSA-N
MW411.47 g/mol
LogP4.40
Rot. Bonds6

About N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 71259641) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID71259641
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC NameN-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1
InChIInChI=1S/C23H21N7O/c1-2-21(15-6-4-3-5-7-15)30-14-18(13-26-30)27-23(31)22-19-9-8-16(10-20(19)28-29-22)17-11-24-25-12-17/h3-14,21H,2H2,1H3,(H,24,25)(H,27,31)(H,28,29)/t21-/m0/s1
InChIKeyIAHZIPPNSDBRJA-NRFANRHFSA-N
XLogP4.40
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 71259641) is N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1.
What is the InChIKey of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is IAHZIPPNSDBRJA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N7O/c1-2-21(15-6-4-3-5-7-15)30-14-18(13-26-30)27-23(31)22-19-9-8-16(10-20(19)28-29-22)17-11-24-25-12-17/h3-14,21H,2H2,1H3,(H,24,25)(H,27,31)(H,28,29)/t21-/m0/s1.
What are the key properties of N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).