[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate

C19H28N6O5 — CID 154616769

IUPAC[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate
SMILESCOC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cc(OC)nn3C)n[nH]2)C1
InChIInChI=1S/C19H28N6O5/c1-11(10-28-3)20-19(27)30-13-6-5-12(7-13)14-8-16(23-22-14)21-18(26)15-9-17(29-4)24-25(15)2/h8-9,11-13H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t11-,12-,13+/m0/s1
InChIKeyVGUYASKCLGWRJE-RWMBFGLXSA-N
MW420.47 g/mol
LogP1.80
Rot. Bonds8

About [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate

[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate (PubChem CID 154616769) has the molecular formula C19H28N6O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate
PubChem CID154616769
Molecular FormulaC19H28N6O5
Molecular Weight420.47 g/mol
Exact Mass420.21
IUPAC Name[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate
SMILESCOC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cc(OC)nn3C)n[nH]2)C1
InChIInChI=1S/C19H28N6O5/c1-11(10-28-3)20-19(27)30-13-6-5-12(7-13)14-8-16(23-22-14)21-18(26)15-9-17(29-4)24-25(15)2/h8-9,11-13H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t11-,12-,13+/m0/s1
InChIKeyVGUYASKCLGWRJE-RWMBFGLXSA-N
XLogP1.80
TPSA132.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate (CID 154616769) is [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate is COC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cc(OC)nn3C)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The InChIKey is VGUYASKCLGWRJE-RWMBFGLXSA-N. The full InChI is InChI=1S/C19H28N6O5/c1-11(10-28-3)20-19(27)30-13-6-5-12(7-13)14-8-16(23-22-14)21-18(26)15-9-17(29-4)24-25(15)2/h8-9,11-13H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t11-,12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
[(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate has a molecular weight of 420.47 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(3-methoxy-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 154616769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).