cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide

C19H30N4O2 — CID 100873532

IUPACcis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide
SMILESCc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1
InChIInChI=1S/C19H30N4O2/c1-11(9-17-12(2)22-23-13(17)3)18(24)21-16-6-4-5-14(10-16)19(25)20-15-7-8-15/h11,14-16H,4-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)/t11-,14+,16-/m0/s1
InChIKeyMUUIHCZGCMVTPE-PEYYIBSZSA-N
MW346.48 g/mol
LogP2.16
Rot. Bonds6

About cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide

cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide (PubChem CID 100873532) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide
PubChem CID100873532
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Namecis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide
SMILESCc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1
InChIInChI=1S/C19H30N4O2/c1-11(9-17-12(2)22-23-13(17)3)18(24)21-16-6-4-5-14(10-16)19(25)20-15-7-8-15/h11,14-16H,4-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)/t11-,14+,16-/m0/s1
InChIKeyMUUIHCZGCMVTPE-PEYYIBSZSA-N
XLogP2.16
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide (CID 100873532) is cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide is Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1.
What is the InChIKey of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide?
The InChIKey is MUUIHCZGCMVTPE-PEYYIBSZSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-11(9-17-12(2)22-23-13(17)3)18(24)21-16-6-4-5-14(10-16)19(25)20-15-7-8-15/h11,14-16H,4-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)/t11-,14+,16-/m0/s1.
What are the key properties of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide?
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 100873532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).