1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea

C15H23N7O — CID 99835836

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea
SMILESC[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccn(CCN(C)C)n2)n[nH]1
InChIInChI=1S/C15H23N7O/c1-10-8-11(10)12-9-14(19-18-12)17-15(23)16-13-4-5-22(20-13)7-6-21(2)3/h4-5,9-11H,6-8H2,1-3H3,(H3,16,17,18,19,20,23)/t10-,11+/m1/s1
InChIKeyJPFLGWTVCPSQEG-MNOVXSKESA-N
MW317.40 g/mol
LogP1.94
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea (PubChem CID 99835836) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea
PubChem CID99835836
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea
SMILESC[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccn(CCN(C)C)n2)n[nH]1
InChIInChI=1S/C15H23N7O/c1-10-8-11(10)12-9-14(19-18-12)17-15(23)16-13-4-5-22(20-13)7-6-21(2)3/h4-5,9-11H,6-8H2,1-3H3,(H3,16,17,18,19,20,23)/t10-,11+/m1/s1
InChIKeyJPFLGWTVCPSQEG-MNOVXSKESA-N
XLogP1.94
TPSA90.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea (CID 99835836) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea is C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccn(CCN(C)C)n2)n[nH]1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea?
The InChIKey is JPFLGWTVCPSQEG-MNOVXSKESA-N. The full InChI is InChI=1S/C15H23N7O/c1-10-8-11(10)12-9-14(19-18-12)17-15(23)16-13-4-5-22(20-13)7-6-21(2)3/h4-5,9-11H,6-8H2,1-3H3,(H3,16,17,18,19,20,23)/t10-,11+/m1/s1.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea has a molecular weight of 317.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 99835836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).